#METABOLOMICS WORKBENCH araskind_20170619_183257 DATATRACK_ID:1057 STUDY_ID:ST000753 ANALYSIS_ID:AN001183 PROJECT_ID:PR000543 VERSION 1 CREATED_ON July 4, 2017, 1:52 pm #PROJECT PR:PROJECT_TITLE Comparison of the metabolome and lipidome of wild type and mdx/mTR mice PR:PROJECT_TYPE MS analysis PR:PROJECT_SUMMARY A comparison of the metabolome and lipidome of wild type and mdx/mTR mice PR:INSTITUTE University of Michigan PR:DEPARTMENT Orthopaedic Surgery PR:LABORATORY Mendias Lab PR:LAST_NAME Mendias PR:FIRST_NAME Christopher PR:ADDRESS Ann Arbor, MI PR:EMAIL cmendias@umich.edu PR:PHONE 734-764-3250 #STUDY ST:STUDY_TITLE Comparison of the metabolome and lipidome of wild type and mdx/mTR mice ST:STUDY_TYPE MS analysis ST:STUDY_SUMMARY There are two groups of mice in the study, wild type mice (WT) and mdx/mTR mice ST:STUDY_SUMMARY (mdx or mdx/mTR) that are a model of musclar dystrophy. We collected the ST:STUDY_SUMMARY tibialis anterior muscles from these mice (N=6 in each group), and would like to ST:STUDY_SUMMARY perform TCA-plus analysis and shotgun lipidomics analysis on the mice, and ST:STUDY_SUMMARY compare across the two groups. ST:INSTITUTE University of Michigan ST:DEPARTMENT Biomedical Research Core Facilities ST:LABORATORY Metabolomics core ST:LAST_NAME Kachman ST:FIRST_NAME Maureen ST:ADDRESS 6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714 ST:EMAIL mkachman@med.umich.edu ST:PHONE (734) 232-8175 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 12 #SUBJECT SU:SUBJECT_TYPE Mouse SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS SU0016121 S00025556 Genotype:WT SUBJECT_SAMPLE_FACTORS SU0016122 S00025557 Genotype:WT SUBJECT_SAMPLE_FACTORS SU0016123 S00025558 Genotype:WT SUBJECT_SAMPLE_FACTORS SU0016124 S00025559 Genotype:WT SUBJECT_SAMPLE_FACTORS SU0016125 S00025560 Genotype:WT SUBJECT_SAMPLE_FACTORS SU0016126 S00025561 Genotype:WT SUBJECT_SAMPLE_FACTORS SU0016127 S00025562 Genotype:mdx/mTR SUBJECT_SAMPLE_FACTORS SU0016128 S00025563 Genotype:mdx/mTR SUBJECT_SAMPLE_FACTORS SU0016129 S00025564 Genotype:mdx/mTR SUBJECT_SAMPLE_FACTORS SU0016130 S00025565 Genotype:mdx/mTR SUBJECT_SAMPLE_FACTORS SU0016131 S00025566 Genotype:mdx/mTR SUBJECT_SAMPLE_FACTORS SU0016132 S00025567 Genotype:mdx/mTR #COLLECTION CO:COLLECTION_SUMMARY - #TREATMENT TR:TREATMENT_SUMMARY - #SAMPLEPREP SP:SAMPLEPREP_SUMMARY - SP:SAMPLEPREP_PROTOCOL_FILENAME A004 - Shotgun Lipidomics.pdf #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Agilent CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 1mm, 3um) #ANALYSIS AN:ANALYSIS_TYPE MS AN:ANALYSIS_PROTOCOL_FILE A011 - Glycolysis-TCA-nucleotides.pdf #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Agilent 6520B QTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS counts MS_METABOLITE_DATA_START Samples S00025556 S00025557 S00025558 S00025559 S00025560 S00025561 S00025562 S00025563 S00025564 S00025565 S00025566 S00025567 Factors Genotype:WT Genotype:WT Genotype:WT Genotype:WT Genotype:WT Genotype:WT Genotype:mdx/mTR Genotype:mdx/mTR Genotype:mdx/mTR Genotype:mdx/mTR Genotype:mdx/mTR Genotype:mdx/mTR PHOSPHOENOLPYRUVATE 21188.0566 23654.45432 5175.473979 15732.36068 0 15369.20415 1314577.287 290808.1489 21787.21494 15877.17344 22770.49933 69828.78451 GLUCONIC ACID 1491029.685 2111675.881 2284977.486 2776933.426 3326483.115 1913194.131 1481984.228 1656298.55 1762825.458 1586940.549 1619371.409 2143949.379 TAURINE 348659873.7 386768310 374523878.4 410558256.3 444020085.5 434665712.9 312711931.9 365531340.3 367516068.1 354542956.4 357623595.9 387081928.3 URIC ACID 81786.46267 66369.27339 107944.5702 3094.783677 189778.4121 15547.70629 600848.7198 143143.6603 155419.4164 218642.4468 98431.2766 261131.0446 XANTHINE 3039865.094 2001145.01 2483104.371 3270921.321 2974147.531 3545362.497 2340104.293 2241896.085 3613081.441 3030536.643 3127038.438 3886462.133 GLUTATHIONE 98866.82 128262.4959 73416.82248 113593.044 56274.6803 204145.9973 6209.035409 127015.4888 204775.4137 122702.4408 159914.629 0 L-PROLINE 1109813.228 1621249.156 1642461.23 1617154.833 2197921.445 1197820.918 1311393.268 1329933.546 1598454.466 1021801.387 1215007.09 1322021.991 UDP-GLUCURONIC ACID 3660.478678 0 4006.258979 3122.276678 0 0 23115.77377 49234.75184 0 0 0 37212.33235 ACETYLPHOSPHATE 255636.6413 175880.9579 227387.3927 238622.5127 273404.2391 288437.9951 268175.6737 423247.5219 370395.7855 258017.784 597299.0958 472004.5626 L-GLUTAMIC ACID 4662235.638 7976791.625 6682701.669 4089649.748 6417910.42 6456185.984 6566424.775 8873963.241 6053460.175 4991895.657 7119088.385 9227600.309 N-ACETYL-D-GLUCOSAMINE 1-PHOSPHATE 47725.1819 56665.38032 59178.34773 78186.39556 66957.15728 63658.43277 97944.69585 70229.8212 72454.07495 87428.96376 78305.7404 150243.8031 OLEIC ACID 52176475.74 47329583.77 49532510.29 91352492.56 54290135.49 84884419.89 37835777.56 23715204.29 52584482.24 28783537.45 41701808.12 40609800.84 UDP-N-ACETYLGLUCOSAMINE 177258.2027 282088.0531 234035.6205 281553.1072 208768.7409 235219.1885 438417.2772 382752.8999 306886.3988 274392.7583 410021.2712 367915.635 STEARIC ACID 36271701.35 21211735.32 23017903.31 27038801.37 26299176.52 25276980.19 26901630.06 15249667.3 24662590.15 22460172.93 30112799.62 31718454.4 UDPGLUCOSE 152514.982 181388.346 152677.1188 319179.0106 201631.0819 173195.1975 123488.0289 128664.9299 134767.7523 119681.0047 180473.7673 171305.1564 D-GLUCOSE 2427073.973 2430585.264 3175737.295 3247714.472 3785129.445 3546981.033 5527493.968 3463327.655 3948283.612 2581444.367 4083812.606 4822606.392 CREATINE 17633163.22 19371368.01 22500553.58 19639943.08 25570759.99 21722972.49 21382929.37 20231322.2 20150233.26 16897168.85 19723258.11 24047267.39 L-ALANINE 10526832.35 11316178.49 12160912.57 11846065.06 12859520.38 12922979.16 11455625.9 11736465.44 12229686.8 9281680.261 11190442.38 13080928.84 ROBISON ESTER 839786.0831 1991330.913 589898.7619 585102.6371 601366.6336 1941827.452 5702269.303 10243256.98 4582952.603 1369572.677 15866235.79 8538377.728 L-ASPARTIC ACID 2640340.159 3013122.379 3004844.206 3175230.258 2703144.333 2774737.361 1944867.708 2615476.099 1733369.061 1860839.925 1615587.756 2255622.282 L-GLUTAMINE 18432980.53 21490176.94 19018633.23 20979100.34 14886303.82 19624451.77 23862465.1 17467444.44 22859443.91 19860216.37 21351531.36 18962657.62 L-LYSINE 2231206.355 1937788.416 3006568.416 2604439.413 3273744.496 3222099.549 3175753.586 3450860.019 3084540.141 3191614.281 4126747.597 3804594.472 INOSINE 3619905.029 2363046.339 3271528.333 3360883.869 5682629.937 5183180.868 1851401.682 1922829.809 5602338.575 4430799.625 6106368.403 7028961.68 URIDYLIC ACID 1783697.01 2159545.656 2389719.697 2515544.493 2221433.297 2141228.955 2449675.753 2980874.81 1980377.585 2240849.012 3040513.465 3187434.008 URIDINE 5'-DIPHOSPHATE 14842.5023 57654.88974 37073.51044 36835.87206 52497.33205 66275.10997 81132.68277 58257.52551 63338.46595 35416.94963 53897.25144 45378.19234 L-TYROSINE 2301072.672 2315982.018 2342184.895 3117128.108 3756033.303 2409898.881 3277144.265 2526683.347 4329603.791 3199030.713 3340551.797 3621938.464 URIDINE 5'-TRIPHOSPHATE 1017009.261 1109600.48 1127480.702 1153027.067 264900.0487 1107503.297 954206.5824 1041968.987 1103573.925 1111492.474 1086883.766 1028209.561 L-METHIONINE 756643.05 520241.0503 888570.6139 793452.2516 1343625.441 855263.2014 975064.7434 863856.052 1256195.063 886390.4587 938571.6197 1179152.843 L-PHENYLALANINE 2885108.054 2750493.687 3521509.974 4073551.792 4341703.32 3341979.85 3772126.256 3170812.022 4785958.763 3357947.226 3900304.575 5223456.31 DL-SERINE 977337.5857 1102566.215 1211477.291 1232653.331 1433413.819 927017.9217 792573.2432 752010.7408 1104503.656 1103486.739 943803.0174 1054063.219 L-ASPARAGINE 828316.8645 1251981.231 1173366.859 1565141.976 1412835.203 776041.1472 949234.8972 1139256.594 1932714.15 1326127.169 1119400.925 1452433.187 L-HISTIDINE 2563706.878 5091528.862 4438522.589 4674374.557 4934768.591 2638929.474 1889621.947 3375148.987 4297521.274 3534146.413 3215826.916 4277126.045 L-VALINE 60634754.59 58991916.72 59822149.12 60572484.31 66607467.51 67203000.11 66556310.72 55812028.42 57902972.22 50967302.69 57528608.8 62868281.01 L-THREONINE 696468.4271 443663.3712 669937.6342 609252.9461 814787.9549 670565.8176 849453.4887 644830.2842 780965.6949 728065.7849 709457.7799 773350.9881 L-TRYPTOPHAN 366878.1037 511883.8221 413275.2075 591809.5991 572924.6486 460948.2368 1008595.249 552395.3082 711630.1499 649939.7868 546336.1132 761194.9011 L-ARGININE 760285.5986 544775.4819 804983.7764 729506.7279 959008.9527 990748.0286 1139010.149 1198036.618 984886.7939 1078244.702 1319300.016 1351035.664 OXIGLUTATIONE 5393417.824 5477525.146 8183122.129 6320636.146 9882292.224 6182646.378 4299074.291 5978058.587 4407066.065 4783732.845 4011099.903 5898137.048 D-PANTOTHENIC ACID 371264.6101 333326.1197 334441.7858 371007.0123 376413.4884 388668.2836 295821.6346 995695.5121 864183.7787 1004450.635 1604560.736 1105637.905 5'-GUANYLIC ACID 1072037.506 879935.3232 1109096.743 1305801.263 1279989.338 1399701.64 966781.1311 1036976.928 1118933.687 1087695.387 1252720.294 1203057.772 O-PHOSPHO-L-SERINE 776103.3728 1380419.616 1272272.857 828900.0166 1244805.767 1171799.071 863502.1102 1441907.336 1134402.299 946898.1328 1198932.919 1585531.78 3-GLYCEROPHOSPHATE 31040.94234 207838.6755 115807.0008 33883.78884 101205.0492 104010.7341 159857.9554 270297.8469 336143.4086 33425.75484 116573.0535 265676.2436 HYPOXANTHINE 4011281.48 4938819.175 6146004.841 4770985.337 7501364.913 4404146.769 6302629.222 8743973.033 5915984.015 6843813.63 6041010.914 9445205.677 INOSINIC ACID 72745050.18 75563451.36 77652817.13 87483331.15 85868854.2 90039938.11 57214959.61 64642971.38 72066297.11 68332746.69 69869202.99 68244227.78 GUANOSINE DIPHOSPHATE 25428.44486 38419.92355 25262.91098 24372.74096 33779.0733 31895.01239 31141.72729 45175.43147 39252.84705 23958.93749 38658.02992 47274.40292 DL-HOMOCYSTEIC ACID 405399.1625 476639.6584 851610.087 404615.7658 652439.0319 1189561.808 1189135.998 918089.169 822785.773 581064.4688 918344.9661 693882.7394 PHOSPHOCREATINE 5274.005907 22684.74422 10948.01716 12914.23342 23442.04571 25916.08477 78396.63946 22821.70256 17625.34983 7564.338351 10579.43475 8613.145951 L-CITRULLINE 677310.223 645162.4196 611263.6795 712985.4829 454793.558 823899.8259 760682.2511 372044.4638 445940.0925 394648.037 623941.3119 371893.7322 PALMITIC ACID 82850369.37 50642737.67 60422079.09 80627679.22 72837057.33 82302513.67 52548435.56 31915639.84 63861837.23 48866593.93 59940356.49 63412425.52 PHENYLPYRUVIC ACID 0 0 0 0 0 0 0 0 0 0 0 0 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name moverz_quant ri ri_type pubchem_id inchi_key kegg_id other_id other_id_type PHOSPHOENOLPYRUVATE 1005 GLUCONIC ACID 10690 TAURINE 1123 URIC ACID 1175 XANTHINE 1188 GLUTATHIONE 124886 L-PROLINE 145742 UDP-GLUCURONIC ACID 17473 ACETYLPHOSPHATE 186 L-GLUTAMIC ACID 33032 N-ACETYL-D-GLUCOSAMINE 1-PHOSPHATE 440272 OLEIC ACID 445639 UDP-N-ACETYLGLUCOSAMINE 445675 STEARIC ACID 5281 UDPGLUCOSE 53477679 D-GLUCOSE 5793 CREATINE 586 L-ALANINE 5950 ROBISON ESTER 5958 L-ASPARTIC ACID 5960 L-GLUTAMINE 5961 L-LYSINE 5962 INOSINE 6021 URIDYLIC ACID 6030 URIDINE 5'-DIPHOSPHATE 6031 L-TYROSINE 6057 URIDINE 5'-TRIPHOSPHATE 6133 L-METHIONINE 6137 L-PHENYLALANINE 6140 DL-SERINE 617 L-ASPARAGINE 6267 L-HISTIDINE 6274 L-VALINE 6287 L-THREONINE 6288 L-TRYPTOPHAN 6305 L-ARGININE 6322 OXIGLUTATIONE 65359 D-PANTOTHENIC ACID 6613 5'-GUANYLIC ACID 6804 O-PHOSPHO-L-SERINE 68841 3-GLYCEROPHOSPHATE 754 HYPOXANTHINE 790 INOSINIC ACID 8582 GUANOSINE DIPHOSPHATE 8977 DL-HOMOCYSTEIC ACID 92117 PHOSPHOCREATINE 9548602 L-CITRULLINE 9750 PALMITIC ACID 985 PHENYLPYRUVIC ACID 997 METABOLITES_END #END